(Z)-N2,N3-bis[2,6-di(propan-2-yl)phenyl]but-2-ene-2,3-diamine; methyl butanoate; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

Systemtic Name: (Z)-N2,N3-bis[2,6-di(propan-2-yl)phenyl]but-2-ene-2,3-diamine; methyl butanoate; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Openeye Name: (Z)-N2,N3-bis(2,6-diisopropylphenyl)but-2-ene-2,3-diamine; methyl butanoate; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide CAS Name: (Z)-N2,N3-bis[2,6-di(propan-2-yl)phenyl]-2-butene-2,3-diamine; butanoic acid methyl ester; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide IUPAC Name: (Z)-2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]but-2-ene-2,3-diamine; methyl butanoate; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Traditional Name: butyric acid methyl ester; [(Z)-2-(2,6-diisopropylanilino)-1-methyl-prop-1-enyl]-(2,6-diisopropylphenyl)amine; palladium(2+); tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide Formula: C65H63BF24N2O2Pd MolecularWeight: 1477.400597

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)NC(=C(C)NC2=C(C=CC=C2C(C)C)C(C)C)C.COC(=O)CC[CH2-].[Pd+2]

Isomeric SMILES

[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.CC(C)C1=C(C(=CC=C1)C(C)C)N/C(=C(/C)\NC2=C(C=CC=C2C(C)C)C(C)C)/C.COC(=O)CC[CH2-].[Pd+2]

InChI

InChI=1S/C32H12BF24.C28H42N2.C5H9O2.Pd/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-17(2)23-13-11-14-24(18(3)4)27(23)29-21(9)22(10)30-28-25(19(5)6)15-12-16-26(28)20(7)8;1-3-4-5(6)7-2;/h1-12H;11-20,29-30H,1-10H3;1,3-4H2,2H3;/q-1;;-1;+2/b;22-21-;;